Geometry & MOs

Info

ID:	447653
PubChem CID:	135284490
Reduced:	N3O3F5H22C23 (1)
Stoich.:	A3B3C5D22E23 (1)
Weight, g/mol:	342.18559
ΔH_f, kcal/mol:	-325.38
Dipole, Da:	5.43
IP(EA), eV:	-9.73(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-(2-fluoro-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy)-2,4-dimethylpentan-2-amine

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=C(C=C(C=C1)C2=NC=NC3=CC(=C(C=C32)F)F)C(F)(F)F)NC(=O)O

DOS

IR

Vibrations